BioLiP

PDB

BioLiP

PDB CCD ID:

ZB0

Number of entries in BioLiP:

Chemical formula:

C8 H16 O6

InChI:

InChI=1S/C8H16O6/c1-12-6-5(10)4(3-9)14-8(11)7(6)13-2/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1

InChIKey:

SQYIWHJCOMWKNU-CBQIKETKSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OC
ACDLabs 12.01	O(C)C1C(OC)C(O)C(OC1O)CO
CACTVS 3.370	CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1OC
OpenEye OEToolkits 1.7.6	COC1C(C(OC(C1OC)O)CO)O
OpenEye OEToolkits 1.7.6	CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O

Name:

2,3-di-O-methyl-alpha-D-glucopyranose

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).